[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])OC

InChI

InChI=1S/C16H15NO6/c1-21-14-4-3-12(9-15(14)22-2)13(18)10-23-16(19)11-5-7-17(20)8-6-11/h3-9H,10H2,1-2H3